ethyl 6-bromanyl-5-oxidanyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-oxidanyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-benzofuran-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[(4-benzylpiperazino)methyl]-6-bromo-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C23H25BrN2O4 MolecularWeight: 473.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)Br)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)Br)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25BrN2O4/c1-2-29-23(28)22-17-12-19(27)18(24)13-20(17)30-21(22)15-26-10-8-25(9-11-26)14-16-6-4-3-5-7-16/h3-7,12-13,27H,2,8-11,14-15H2,1H3